Chem
J-GLOBAL ID:200907090950482299
Nikkaji number:J667.925K
Mycosporin
ミコスポリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C11 H19 NO6
Molecular formula furigana:
C11-H19-N-O6
Molecular weight:
261.274
InChI:
InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1
InChI key:
VVTDHOIRNPCGTH-NSHDSACASA-N
SMILES:
COC1=C(C[C@@](O)(CO)CC1=O)NC(CO)CO
Systematic name (4):
(S)-5-ヒドロキシ-3-[[2-ヒドロキシ-1-(ヒドロキシメチル)エチル]アミノ]-5-(ヒドロキシメチル)-2-メトキシ-2-シクロヘキセン-1-オン
(5S)-2-メトキシ-3-[1-(ヒドロキシメチル)-2-ヒドロキシエチルアミノ]-5β-(ヒドロキシメチル)-5-ヒドロキシ-2-シクロヘキセン-1-オン
(5S)-3-[(1,3-ジヒドロキシプロパン-2-イル)アミノ]-5-ヒドロキシ-5-(ヒドロキシメチル)-2-メトキシシクロヘキサ-2-エン-1-オン
(5S)-3-[(1,3-dihydroxypropan-2-yl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Other name (9):
CAS registry number:
59719-29-8
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